2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C21H21NO3 — CID 25159359

IUPAC2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1CCCC2
InChIInChI=1S/C21H21NO3/c23-19(18-11-5-9-14-6-3-4-10-17(14)18)22-21(20(24)25)12-15-7-1-2-8-16(15)13-21/h1-2,5,7-9,11H,3-4,6,10,12-13H2,(H,22,23)(H,24,25)
InChIKeyYAJDKGWZDVHDQJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.92
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25159359) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID25159359
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1CCCC2
InChIInChI=1S/C21H21NO3/c23-19(18-11-5-9-14-6-3-4-10-17(14)18)22-21(20(24)25)12-15-7-1-2-8-16(15)13-21/h1-2,5,7-9,11H,3-4,6,10,12-13H2,(H,22,23)(H,24,25)
InChIKeyYAJDKGWZDVHDQJ-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 25159359) is 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is YAJDKGWZDVHDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-19(18-11-5-9-14-6-3-4-10-17(14)18)22-21(20(24)25)12-15-7-1-2-8-16(15)13-21/h1-2,5,7-9,11H,3-4,6,10,12-13H2,(H,22,23)(H,24,25).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25159359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).